International Tables for Crystallography
| Fingerprinting: principal component analysis and linear combination fitting International Tables for Crystallography (2023). Vol. I [ doi:10.1107/S1574870720016705 ] Abstract Complex, heterogeneous systems can be difficult to analyse using the techniques that are often used for pure-phase systems. Often, it is the complexity that is important in the system of interest, and an analysis of the number and types of species present is desired. Fingerprinting techniques are often employed, using various combinations of principal component analysis and linear combination fitting to determine the species that are present. This chapter will introduce the concepts behind these methods, discuss some of their advantages and disadvantages, and discuss several of the related concepts behind fingerprinting and combinatorial analysis of X-ray spectra. |
Access, prices and ordering
International Tables for Crystallography is available online as a full set of volumes through Wiley.
 |
If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.
About International Tables for Crystallography
International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.